Name: 4-Carbamoylphenylboronic acid
SKU: 123088-59-5

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Basic Information

Molecular Structure:
CAS No.:	123088-59-5
Name:	4-Carbamoylphenylboronic acid
Article Data:	6

Formula:	C₇H₈BNO₃
Molecular Weight:	164.956
Synonyms:	Boronicacid, [4-(aminocarbonyl)phenyl]- (9CI);4-(Aminocarbonyl)phenylboronic acid;4-Carbamoylbenzeneboronic acid;4-Aminocarbonylphenylboronic acid;
Density:	1.32 g/cm³
Melting Point:	242-252 °C
Boiling Point:	414.3 °C at 760 mmHg
Flash Point:	204.4 °C
Appearance:	White to Tan
Hazard Symbols:	Xi,C,Xn
Risk Codes:	36/37/38-22-20/21/22
Safety:	26-36/37/39
PSA:	83.55000
LogP:	-0.83440

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Specification

The Boronic acid,B-[4-(aminocarbonyl)phenyl]-, with the CAS registry number 123088-59-5, is also known as 4-Aminocarbonylphenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes; Amide; Aryl; Organoborons; Boronic acid. This chemical's molecular formula is C₇H₈BNO₃ and molecular weight is 164.95. What's more, its systematic name is (4-carbamoylphenyl)boronic acid.

Physical properties of Boronic acid,B-[4-(aminocarbonyl)phenyl]- are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.29; (8)ACD/KOC (pH 7.4): 20.91; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 41.65 cm³; (15)Molar Volume: 124.2 cm³; (16)Polarizability: 16.51×10^-24cm³; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 204.4 °C; (20)Enthalpy of Vaporization: 70.35 kJ/mol; (21)Boiling Point: 414.3 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)N
(2)Std. InChI: InChI=1S/C7H8BNO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H2,9,10)
(3)Std. InChIKey: GNRHNKBJNUVWFZ-UHFFFAOYSA-N